Information card for entry 4315191

Structure parameters

• Formula: C164 H125 Nd5 O25
• Calculated formula: C164 H125 Nd5 O25
• Title of publication: Metal-Controlled Assembly of Near-Infrared-Emitting Pentanuclear Lanthanide β-Diketone Clusters
• Authors of publication: Xiao-Yan Chen; Xiaoping Yang; Bradley J. Holliday
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2583 - 2585
• a: 19.693 ± 0.003 Å
• b: 19.693 ± 0.003 Å
• c: 19.102 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7408 ± 2 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No